3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide

C21H25F2N3O2 — CID 31568208

IUPAC3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)c3cc(F)cc(F)c3)CC2)cc1
InChIInChI=1S/C21H25F2N3O2/c1-28-20-5-3-19(4-6-20)26-11-9-25(10-12-26)8-2-7-24-21(27)16-13-17(22)15-18(23)14-16/h3-6,13-15H,2,7-12H2,1H3,(H,24,27)
InChIKeyGDYVAJDAYUMLHC-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.92
Rot. Bonds7

About 3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide

3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide (PubChem CID 31568208) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
PubChem CID31568208
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC Name3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)c3cc(F)cc(F)c3)CC2)cc1
InChIInChI=1S/C21H25F2N3O2/c1-28-20-5-3-19(4-6-20)26-11-9-25(10-12-26)8-2-7-24-21(27)16-13-17(22)15-18(23)14-16/h3-6,13-15H,2,7-12H2,1H3,(H,24,27)
InChIKeyGDYVAJDAYUMLHC-UHFFFAOYSA-N
XLogP2.92
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,5-dimethylbenzamide
CID 42224706
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-nitrobenzamide
CID 41277702
3-cyano-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 39990286
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380
1-[2-(4-fluorophenyl)ethyl]-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 39977337
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
CID 10000302
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)propanamide
CID 42224826
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 42224724
3-amino-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 35412998
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
CID 39990796
N-[4-[4-[4-bromo-3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-4-methoxybenzamide
CID 90853118

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide (CID 31568208) is 3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide is COc1ccc(N2CCN(CCCNC(=O)c3cc(F)cc(F)c3)CC2)cc1.
What is the InChIKey of 3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is GDYVAJDAYUMLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-28-20-5-3-19(4-6-20)26-11-9-25(10-12-26)8-2-7-24-21(27)16-13-17(22)15-18(23)14-16/h3-6,13-15H,2,7-12H2,1H3,(H,24,27).
What are the key properties of 3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 389.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 31568208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).